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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204092

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1204092
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 130
  • Number of elements: 6
  • Element list: ['Na', 'Zn', 'B', 'P', 'H', 'O']
  • Chemical System: B-H-Na-O-P-Zn
  • Density: 2.739830545787156
  • Atomic Density: 0.08731334139168186
  • Unit Cell Volume: 1488.8904482171702
  • Molar Volume: 6.897159888756376
  • Full Formula: Na12 Zn6 B18 P12 H6 O76
  • Reduced Formula: Na6Zn3B9P6H3O38
  • Formula Anonymous: A3B3C6D6E9F38
  • Spacegroup Number: 173
  • Spacegroup Symbol: P6_3
  • Crystal System: hexagonal
  • Pointgroup: 6

Thermodynamics:

  • Final energy: -916.77813604
  • Final energy per atom: -7.052139508000001
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.